(1s 1 5p 1 ) 3 P B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | .622235 | 5.50535280 |
| 2 | 3p | 1.015671 | -6.34695238 |
| 3 | 4p | .721587 | 8.77155841 |
| 4 | 5p | .773531 | -9.36920152 |
| 5 | 2p | 4.957702 | .00604617 |
| 6 | 5p | 2.023890 | .03276039 |
| 7 | 3p | 11.523336 | .00008500 |
| ORB.ENERGY,a.u. | -.328460 | ||
| NORM | 1.000009 | < R > | 9.001389 | < R2 > | 91.236730 | < 1/R > | .162946 | < 1/R**2 > | .091903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.903701 | .75820227 |
| 2 | 1s | 5.102370 | .25541520 |
| 3 | 2s | 5.010312 | -.01516159 |
| 4 | 3s | 5.741744 | -.00041225 |
| 5 | 4s | 3.251828 | -.00016053 |
| ORB.ENERGY,a.u. | -12.328000 |
| NORM | 1.000000 | < R > | .300128 | < R2 > | .120114 | < 1/R > | 4.998438 | < 1/R**2 > | 49.974620 |
Total Energy= -12.82271454 a.u.
Kinetic Energy= 12.82427449 a.u.
Potential Energy= -25.64698902 a.u.
Virial Ratio = -1.99987836